In-silico, in-vitro, and proteomics analyses on repurposed drugs in targeting the small GTPase, Rho subfamily protein (Rho GTPase), and putative Rho GTPase-activating protein (RhoGAP) of Giardia lamblia.

ABSTRACT: Giardia lamblia is a globally prevalent protozoan responsible for Giardiasis, an intestinal disease commonly treated with nitroimidazoles such as metronidazole, tinidazole, and albendazole. However, increasing drug resistance has reduced treatment efficacy. Rho GTPase and its regulator, putative Rho GTPase-activating protein (RhoGAP), play crucial roles in Giardia's encystation, membrane trafficking, and metabolism. This study explores these proteins as potential drug targets. We employed sequence-based target prediction, molecular docking, molecular dynamics (MD) simulations, minimal inhibitory concentration (MIC) assays, and label-free quantitative proteomics (LFQ) to identify and validate potential inhibitors. Target sequence analysis revealed Dextromethorphan and Azathioprine as candid

SUBMITTER: Jasni N 

PROVIDER: S-EPMC12506490 | biostudies-literature | 2025 Dec

REPOSITORIES: biostudies-literature